CID 12311091

(-)-isolonchocarpin

Structural Information

Molecular Formula

C₂₀H₁₈O₃

SMILES

CC1(C=CC2=C(O1)C=CC3=C2OC(CC3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C20H18O3/c1-20(2)11-10-15-17(23-20)9-8-14-16(21)12-18(22-19(14)15)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3

InChIKey

GJRSGESHUAFWMY-UHFFFAOYSA-N

Compound name

8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-f]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 306.12558 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	307.132856	171.0
[M+Na]+	329.114798	179.9
[M-H]-	305.118304	180.8
[M+NH4]+	324.159403	187.1
[M+K]+	345.088738	177.5
[M+H-H2O]+	289.122840	162.1
[M+HCOO]-	351.123781	187.2
[M+CH3COO]-	365.139431	182.8
[M+Na-2H]-	327.100246	178.1
[M]+	306.12503142	171.7
[M]-	306.12612858	171.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.